CID 16689738

C21H29F12N2ORhSb2+ — CID 16689738

IUPAC—
SMILESCC(C)[C@H]1COC(c2ccccn2)=N1.C[C]1[C](C)[C](C)[C](C)[C]1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Rh+3]
InChIInChI=1S/C11H14N2O.C10H15.12FH.Rh.2Sb/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;/h3-6,8,10H,7H2,1-2H3;1-5H3;12*1H;;;/q;;;;;;;;;;;;;;+3;2*+5/p-12/t10-;;;;;;;;;;;;;;;;/m1................/s1
InChIKeyJZBYALNBAZNXPA-NNPYFGRASA-B
MW899.88 g/mol
LogP9.13
Rot. Bonds2

About CID 16689738

CID 16689738 (PubChem CID 16689738) has the molecular formula C21H29F12N2ORhSb2+ and a molecular weight of 899.88 g/mol.

Molecular Properties

Compound NameCID 16689738
PubChem CID16689738
Molecular FormulaC21H29F12N2ORhSb2+
Molecular Weight899.88 g/mol
Exact Mass897.92
IUPAC Name—
SMILESCC(C)[C@H]1COC(c2ccccn2)=N1.C[C]1[C](C)[C](C)[C](C)[C]1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Rh+3]
InChIInChI=1S/C11H14N2O.C10H15.12FH.Rh.2Sb/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;/h3-6,8,10H,7H2,1-2H3;1-5H3;12*1H;;;/q;;;;;;;;;;;;;;+3;2*+5/p-12/t10-;;;;;;;;;;;;;;;;/m1................/s1
InChIKeyJZBYALNBAZNXPA-NNPYFGRASA-B
XLogP9.13
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.88
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
(4S)-2-[6-[4-(1-iodoethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 163574251
4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 71317490
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 175202184
(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890547
(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890554
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
CID 127262986
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004

Frequently Asked Questions

What is the IUPAC name of CID 16689738?
The IUPAC name of CID 16689738 (CID 16689738) is not available.
What is the SMILES notation for CID 16689738?
The canonical SMILES for CID 16689738 is CC(C)[C@H]1COC(c2ccccn2)=N1.C[C]1[C](C)[C](C)[C](C)[C]1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Rh+3].
What is the InChIKey of CID 16689738?
The InChIKey is JZBYALNBAZNXPA-NNPYFGRASA-B. The full InChI is InChI=1S/C11H14N2O.C10H15.12FH.Rh.2Sb/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;/h3-6,8,10H,7H2,1-2H3;1-5H3;12*1H;;;/q;;;;;;;;;;;;;;+3;2*+5/p-12/t10-;;;;;;;;;;;;;;;;/m1................/s1.
What are the key properties of CID 16689738?
CID 16689738 has a molecular weight of 899.88 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16689738 is sourced from PubChem (CID 16689738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).